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Home > Nitro Compounds > 131747-58-5
131747-58-5 | 3-Pyridinemethanol, 5-nitro-
CAS No: 131747-58-5 Catalog No: AG000ZOC MDL No:
Product Description
Catalog Number:
AG000ZOC
Chemical Name:
3-Pyridinemethanol, 5-nitro-
CAS Number:
131747-58-5
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
IUPAC Name:
(5-nitropyridin-3-yl)methanol
InChI:
InChI=1S/C6H6N2O3/c9-4-5-1-6(8(10)11)3-7-2-5/h1-3,9H,4H2
InChI Key:
DIFGWCYSGJFWDL-UHFFFAOYSA-N
SMILES:
OCc1cncc(c1)[N+](=O)[O-]
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.038g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.125g/mol
Monoisotopic Mass:
154.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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